Computational Chemistry as the domain for modern drug designing

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Computational drug designing (CDD) can be considered as the most complex material designing exercise a real computational chemist has to take up. But few drugs have come up in the market as products of CDD.

COMPUTATIONAL DRUG DESIGNING-AN OUTCOME OF COMPUTATIONAL CHEMISTRY

Computational Chemistry is an exciting and fast-emerging discipline which deals with modeling and simulation of systems including biomolecules and drugs. This is the only descipline dealing with material simulation and modeling. In computational drug designing, the principles of computational chemistry has been extended effectively. Drug likeness can be identified as a consequence of interaction between targets such as proteins, nucleic acids, metabolites etc and drug molecules or ligands.Characterization of targets, ligands and their interactions unveil the mystery of drug designing. Moderate computing facility along with familarization of the concepts of Computational chemistry is required to solve complex problems related to drug designing. The method fastens the process of drug designing to make the fruit of science available to the present generation also. As an opening to Computational Chemistry groups, we have taken up the topic starting with some neurodegenerative disorders like Alzheimer's disease. As a promising area, I would like the interested researches to collaborate with my research team.
Dr. P.K.Krishnan NambooriComputational Chemistry Group,
AMRITA Vishwa Vidyapeetham,
Ettimadai, Coimbatore-641105.
INDIA